If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

ACAC_YEAST_1477_2229_ACoA

Acetyl-CoA carboxylase

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (ACAC_YEAST):D: CoA carboxyltransferase N-terminal (1593, 1595, 1625:1629, 1705, 1708, 1712, 1731, 1733:1735, 1738, 1756:1758, 1774)
R: Carboxyltransferase (1593, 1595, 1625, 1626, 1705, 1708, 1712, 1731, 1733:1735, 1738, 1756:1758, 1774)
R: Acetyl-CoA binding (1627:1629)
1593, 1595, 1625:1629, 1705, 1708, 1712, 1731, 1733:1735, 1738, 1756:1758, 1774
A2 (ACAC_YEAST):R: Carboxyltransferase (1924, 1929, 1956, 1967, 1968, 1971, 1974, 1975, 1997:1999, 2001, 2002, 2024, 2025, 2033, 2034, 2036)
D: CoA carboxyltransferase C-terminal (1924, 1929, 1956, 1967, 1968, 1971, 1974, 1975, 1997:1999, 2001, 2002, 2024, 2025, 2033, 2034, 2036)
1924, 1929, 1956, 1967, 1968, 1971, 1974, 1975, 1997:1999, 2001, 2002, 2024, 2025, 2033, 2034, 2036
Cofactors (cF):3w7

Full PDB list

1od2, 1od4, 1uyr, 1uys, 1uyt, 1uyv, 1w2x, 3h0j, 3h0q, 3h0s, 3k8x, 3pgq, 3tv5, 3tvu, 3tvw, 3tz3, 4wyo, 4wz8, 5csk, 5csl, 5ctb, 5ctc, 5cte (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 cF
I
1
5
9
3
S
1
5
9
5
S
1
6
2
5
G
1
6
2
6
A
1
6
2
7
R
1
6
2
8
I
1
6
2
9
L
1
7
0
5
S
1
7
0
8
A
1
7
1
2
R
1
7
3
1
V
1
7
3
3
G
1
7
3
4
I
1
7
3
5
Y
1
7
3
8
L
1
7
5
6
T
1
7
5
7
W
1
9
2
4
F
1
9
5
6
V
1
9
6
7
L
1
9
6
8
G
1
9
7
1
I
1
9
7
4
G
1
9
9
7
G
1
9
9
8
V
2
0
0
1
V
2
0
0
2
V
2
0
2
4
L
2
0
2
5
I
2
0
3
3
K
2
0
3
4
R
2
0
3
6
[1]1od2.a aco48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1od2.b ade10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1uyr.a d1l21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1uys.a h1l24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1uyv.a none . . . . . . . I . . . . . . . . . . . I . . . . . . . . . - - -
[1]3k8x.a b8923 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3pgq.a gy323 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4wz8.b none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3w7
[1]5csl.a coa48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1 A2 cF
I
1
5
9
3
S
1
5
9
5
S
1
6
2
5
G
1
6
2
6
A
1
6
2
7
R
1
6
2
8
I
1
6
2
9
L
1
7
0
5
S
1
7
0
8
A
1
7
1
2
R
1
7
3
1
V
1
7
3
3
G
1
7
3
4
I
1
7
3
5
Y
1
7
3
8
L
1
7
5
6
T
1
7
5
7
G
1
7
5
8
N
1
7
7
4
W
1
9
2
4
A
1
9
2
9
F
1
9
5
6
V
1
9
6
7
L
1
9
6
8
G
1
9
7
1
I
1
9
7
4
V
1
9
7
5
G
1
9
9
7
G
1
9
9
8
S
1
9
9
9
V
2
0
0
1
V
2
0
0
2
V
2
0
2
4
L
2
0
2
5
I
2
0
3
3
K
2
0
3
4
R
2
0
3
6
[1]1od2.a . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]1od2.b . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]1uyr.a . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . .
[1]1uys.a . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . .
[1]1uyv.a . . . . . . . I . . . . . . * . . . . . . * I . . . . . . . * . . . - - -
[1]3k8x.a . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]3pgq.a . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4wz8.b . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . * . . . . . * 3w7
[1]5csl.a . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1od2.a:aco
1od2.b:ade
1uyr.a:d1l
1uys.a:h1l
1uyv.a is apo
3k8x.a:b89
3pgq.a:gy3
4wz8.b is apo
5csl.a:coa
[1] 1od2.a
0
0 6.9 7.2 - 1.1 1.4 - 0.2
[1] 1od2.b 0.2
0
6.4 6.6 - 1.0 1.2 - 0.1
[1] 1uyr.a 0.1 0
0
0.5 - 1.8 0.8 - 0.1
[1] 1uys.a 0.3 0 0.2
0
- 1.3 0.6 - 0.4
[1] 1uyv.a 0.3 0 6.4 6.4
-
1.0 1.4 - 0.5
[1] 3k8x.a 0.3 0 6.1 5.9 -
0.1
0.2 - 0.1
[1] 3pgq.a 0.2 0.1 5.7 5.5 - 0.1
0
- 0.1
[1] 4wz8.b 2.4 0.4 7.1 7.6 - 2.1 2.5
-
1.0
[1] 5csl.a 0.1 0 6.4 6.7 - 0.9 1.7 -
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1od2.a
1od2.b
1uyr.a
1uys.a
1uyv.a
3k8x.a
3pgq.a
4wz8.b
5csl.a
[1] 1od2.a
0
.06 .17 .19 .07 .06 .07 .13 .07
[1] 1od2.b .06
0
.14 .17 .05 .08 .07 .14 .03
[1] 1uyr.a .17 .14
0
.04 .16 .13 .12 .26 .16
[1] 1uys.a .19 .17 .04
0
.18 .16 .14 .28 .19
[1] 1uyv.a .07 .05 .16 .18
0
.08 .07 .13 .05
[1] 3k8x.a .06 .08 .13 .16 .08
0
.04 .18 .08
[1] 3pgq.a .07 .07 .12 .14 .07 .04
0
.16 .06
[1] 4wz8.b .13 .14 .26 .28 .13 .18 .16
0
.13
[1] 5csl.a .07 .03 .16 .19 .05 .08 .06 .13
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1od2.a
1od2.b
1uyr.a
1uys.a
1uyv.a
3k8x.a
3pgq.a
4wz8.b
5csl.a
[1] 1od2.a
0
0.4 0.9 1.0 0.6 0.7 0.8 0.8 0.5
[1] 1od2.b 0.4
0
0.7 0.8 0.5 0.5 0.6 0.8 0.5
[1] 1uyr.a 0.9 0.7
0
0.5 0.7 0.6 0.5 1.2 0.8
[1] 1uys.a 1.0 0.8 0.5
0
0.9 0.7 0.7 1.3 1.0
[1] 1uyv.a 0.6 0.5 0.7 0.9
0
0.6 0.6 0.7 0.6
[1] 3k8x.a 0.7 0.5 0.6 0.7 0.6
0
0.3 1.0 0.6
[1] 3pgq.a 0.8 0.6 0.5 0.7 0.6 0.3
0
1.0 0.7
[1] 4wz8.b 0.8 0.8 1.2 1.3 0.7 1.0 1.0
0
0.8
[1] 5csl.a 0.5 0.5 0.8 1.0 0.6 0.6 0.7 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1od2.a
1od2.b
1uyr.a
1uys.a
1uyv.a
3k8x.a
3pgq.a
4wz8.b
5csl.a
[1] 1od2.a
0
0.8 1.4 1.5 1.0 1.0 1.1 1.3 0.7
[1] 1od2.b 0.8
0
1.2 1.4 0.8 0.7 0.8 1.2 0.8
[1] 1uyr.a 1.4 1.2
0
0.9 1.3 1.2 1.2 1.7 1.4
[1] 1uys.a 1.5 1.4 0.9
0
1.3 1.3 1.2 1.9 1.5
[1] 1uyv.a 1.0 0.8 1.3 1.3
0
0.9 0.8 1.0 0.9
[1] 3k8x.a 1.0 0.7 1.2 1.3 0.9
0
0.5 1.4 0.9
[1] 3pgq.a 1.1 0.8 1.2 1.2 0.8 0.5
0
1.4 1.0
[1] 4wz8.b 1.3 1.2 1.7 1.9 1.0 1.4 1.4
0
1.3
[1] 5csl.a 0.7 0.8 1.4 1.5 0.9 0.9 1.0 1.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...